N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine

C12H17BrN4S — CID 105182980

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1scnc1C)c1c(Br)cnn1CC
InChIInChI=1S/C12H17BrN4S/c1-4-14-10(12-8(3)15-7-18-12)11-9(13)6-16-17(11)5-2/h6-7,10,14H,4-5H2,1-3H3
InChIKeyZSMJAYZPVPWPEY-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.13
Rot. Bonds5

About N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine

N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 105182980) has the molecular formula C12H17BrN4S and a molecular weight of 329.27 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID105182980
Molecular FormulaC12H17BrN4S
Molecular Weight329.27 g/mol
Exact Mass328.04
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1scnc1C)c1c(Br)cnn1CC
InChIInChI=1S/C12H17BrN4S/c1-4-14-10(12-8(3)15-7-18-12)11-9(13)6-16-17(11)5-2/h6-7,10,14H,4-5H2,1-3H3
InChIKeyZSMJAYZPVPWPEY-UHFFFAOYSA-N
XLogP3.13
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105182878
N-[(4-bromo-1-propylpyrazol-5-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105183497
[(4-bromo-1-methylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 105342123
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105183986
N-[(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dichloro-2-pyridinyl)methyl]ethanamine
CID 114657958
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2-fluorophenyl)methyl]ethanamine
CID 114650671
N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
CID 105182928
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 103407340
N-[(4-bromo-1-ethylpyrazol-5-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
CID 105040385
N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 114651112
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105040348
N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methyl]ethanamine
CID 103216273

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 105182980) is N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is CCNC(c1scnc1C)c1c(Br)cnn1CC.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is ZSMJAYZPVPWPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4S/c1-4-14-10(12-8(3)15-7-18-12)11-9(13)6-16-17(11)5-2/h6-7,10,14H,4-5H2,1-3H3.
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 329.27 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105182980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).